%chk=000171198.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171198

0 1
 O    3.501000     -0.1486000     -0.8047000    
 O    1.744800       2.606400      0.6735000    
 O    4.265500       2.716500     -0.3619000    
 O    5.319600      -1.827500      0.5150000    
 O  -0.3889000       1.056200      -1.358200    
 O   -1.668700      -3.180800      0.1443000    
 O   -5.579100     -2.5300000E-02   1.878600    
 O   -5.958800       1.935700      0.8052000    
 N    1.204200     -0.3517000     -0.4201000    
 N   -1.083100      -1.045600     -0.6293000    
 N   -4.718100       1.159000      -1.430300    
 C    2.510700       1.419200      0.6706000    
 C    2.284300      0.5805000     -0.5754000    
 C    3.997800       1.694600      0.5978000    
 C    4.538800      0.3816000      4.8599999E-02
 C    4.834700     -0.6475000       1.131400    
 C  -0.1102000     -3.0600000E-02 -0.8419000    
 C    1.476800      -1.582500      0.1572000    
 C   -2.450300     -0.7613000      -1.051200    
 C   -3.258500     -0.1119000      6.9700003E-02
 C   0.5638000      -2.531100      0.3569000    
 C  -0.8366000      -2.296600     -4.8099998E-02
 C   -4.706100      0.1844000     -0.3368000    
 C   -5.483300      0.8070000      0.8090000    
 H    2.283000      0.8585000       1.585100    
 H    2.091400       1.209800      -1.452400    
 H    4.437000       2.007200       1.548700    
 H    5.423400      0.5256000     -0.5823000    
 H    3.956900     -0.9006000       1.730400    
 H    5.611200     -0.2709000       1.805400    
 H   0.8079000       2.349200      0.6333000    
 H    3.977700       2.411600      -1.238500    
 H    2.488800      -1.794500      0.4640000    
 H   -2.935100      -1.695300      -1.359200    
 H   -2.411600     -0.1158000      -1.934200    
 H   -2.761700      0.8088000      0.4056000    
 H   -3.254700     -0.7768000      0.9435000    
 H   0.8189000      -3.481200      0.8112000    
 H    5.514000      -2.462800       1.225100    
 H   -5.233200     -0.7212000     -0.6552000    
 H   -4.341500      0.7406000      -2.278700    
 H   -4.112200       1.947400      -1.205500    
 H   -6.071400      0.3874000       2.619900    


%chk=000171198-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171198

0 1
O 3.735043 -0.343177 -0.724930
O 1.886110 2.725989 -0.635183
O 4.531549 2.592670 -0.587330
O 4.681016 -1.794069 1.476440
O -0.145196 0.997145 -1.302066
O -1.798954 -3.282474 -0.270750
O -5.598986 -0.439088 1.928899
O -5.228376 1.847157 1.750063
N 1.356190 -0.684844 -0.685601
N -0.974063 -1.147168 -0.807777
N -4.584406 1.523423 -0.934504
C 2.388079 1.537144 0.020255
C 2.465615 0.305711 -0.940027
C 3.872700 1.771168 0.414235
C 4.469058 0.351116 0.379133
C 4.306358 -0.395379 1.710944
C 0.056977 -0.216571 -0.952425
C 1.613650 -1.991898 -0.284696
C -2.364546 -0.685733 -1.060714
C -3.042152 -0.180126 0.230801
C 0.592598 -2.897239 -0.128186
C -0.792024 -2.526405 -0.385704
C -4.493618 0.347058 -0.073993
C -5.141902 0.699254 1.261700
H 1.782261 1.278916 0.912573
H 2.387659 0.631496 -1.993835
H 3.954388 2.239776 1.416569
H 5.524372 0.361014 0.066009
H 3.259230 -0.327137 2.080027
H 4.974164 0.085697 2.457062
H 1.005253 2.461245 -1.035945
H 3.825859 3.184992 -0.971666
H 2.670103 -2.218782 -0.110099
H -2.919114 -1.550943 -1.462262
H -2.310105 0.119527 -1.811933
H -2.448405 0.644617 0.668283
H -3.099432 -1.011250 0.957260
H 0.791321 -3.921625 0.187272
H 4.776999 -2.260768 2.343953
H -5.067098 -0.491686 -0.513502
H -4.193217 1.447677 -1.871956
H -4.441261 2.419140 -0.463827
H -5.974595 -0.178469 2.813537


